Found 112 hits with Last Name = 'chang' and Initial = 'cd' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
GTP:AMP phosphotransferase AK3, mitochondrial
(Rattus norvegicus) | BDBM50027422
(1N-{4-[9-(3,4-dihydroxy-5-hydroxymethyltetrahydro-...)Show SMILES CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(C)=O Show InChI InChI=1S/C18H31N6O14P3/c1-11(25)22(2)6-4-5-7-23(3)16-13-17(20-9-19-16)24(10-21-13)18-15(27)14(26)12(36-18)8-35-40(31,32)38-41(33,34)37-39(28,29)30/h9-10,12,14-15,18,26-27H,4-8H2,1-3H3,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 9.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition of adenylate kinase II in rat liver with respect to ATP |
J Med Chem 25: 373-81 (1982)
BindingDB Entry DOI: 10.7270/Q28P5ZH6 |
More data for this Ligand-Target Pair | |
Adenylate kinase 2, mitochondrial
(Rattus norvegicus) | BDBM50027422
(1N-{4-[9-(3,4-dihydroxy-5-hydroxymethyltetrahydro-...)Show SMILES CN(CCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(C)=O Show InChI InChI=1S/C18H31N6O14P3/c1-11(25)22(2)6-4-5-7-23(3)16-13-17(20-9-19-16)24(10-21-13)18-15(27)14(26)12(36-18)8-35-40(31,32)38-41(33,34)37-39(28,29)30/h9-10,12,14-15,18,26-27H,4-8H2,1-3H3,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 1.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition of adenylate kinase III in rat liver with respect to ATP |
J Med Chem 25: 373-81 (1982)
BindingDB Entry DOI: 10.7270/Q28P5ZH6 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323659
(CHEMBL1208890 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C28H29N5O5S/c1-28(2,3)17-14-22(26(38-4)23(15-17)33-39(5,36)37)32-27(35)25(34)20-10-11-21(19-9-7-6-8-18(19)20)31-24-12-13-29-16-30-24/h6-16,33H,1-5H3,(H,32,35)(H,29,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of phospho-p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323660
(CHEMBL1208891 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C29H30N4O5S/c1-29(2,3)18-16-24(27(38-4)25(17-18)33-39(5,36)37)32-28(35)26(34)22-10-11-23(21-9-7-6-8-20(21)22)31-19-12-14-30-15-13-19/h6-17,33H,1-5H3,(H,30,31)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of phospho-p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50551233
(CHEMBL4790152)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCCC(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as substrate incubat... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50551231
(CHEMBL4798549)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCC(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human HDAC3 using RHK-K(Ac)-AMC as substrate by fluorescence based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323662
(CHEMBL1208954 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(n3)N3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)20-18-24(29(42-4)25(19-20)36-45(5,40)41)34-30(39)28(38)23-10-11-26(22-9-7-6-8-21(22)23)44-27-12-13-33-31(35-27)37-14-16-43-17-15-37/h6-13,18-19,36H,14-17H2,1-5H3,(H,34,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of phospho-p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50274366
(2-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-N-(4-(2-...)Show SMILES Cn1nc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C26H32N4O4/c1-26(2,3)23-17-21(29(4)28-23)24(31)25(32)27-20-9-10-22(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Kemia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha |
Bioorg Med Chem Lett 18: 5456-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.028 BindingDB Entry DOI: 10.7270/Q2154GWM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38-alpha kinase phosphorylation |
Bioorg Med Chem Lett 18: 1772-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.033 BindingDB Entry DOI: 10.7270/Q2542PFD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of phospho-p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50274368
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(6-(morph...)Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H33N3O4/c1-20-26(17-28(38-20)31(2,3)4)29(35)30(36)33-27-12-11-23(24-7-5-6-8-25(24)27)21-9-10-22(32-18-21)19-34-13-15-37-16-14-34/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kemia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha phosphorylation |
Bioorg Med Chem Lett 18: 5456-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.028 BindingDB Entry DOI: 10.7270/Q2154GWM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323668
(CHEMBL1208953 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES CNc1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(cc(NS(C)(=O)=O)c3OC)C(C)(C)C)c3ccccc23)n1 Show InChI InChI=1S/C29H32N6O5S/c1-29(2,3)17-15-22(26(40-5)23(16-17)35-41(6,38)39)33-27(37)25(36)20-11-12-21(19-10-8-7-9-18(19)20)32-24-13-14-31-28(30-4)34-24/h7-16,35H,1-6H3,(H,33,37)(H2,30,31,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of phospho-p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50274367
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(2-morpho...)Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C27H32N2O5/c1-18-21(17-24(34-18)27(2,3)4)25(30)26(31)28-22-9-10-23(20-8-6-5-7-19(20)22)33-16-13-29-11-14-32-15-12-29/h5-10,17H,11-16H2,1-4H3,(H,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Kemia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha |
Bioorg Med Chem Lett 18: 5456-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.028 BindingDB Entry DOI: 10.7270/Q2154GWM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323666
(CHEMBL1209013 | N-(5-tert-butyl-3-cyano-2-methoxyp...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3ccnc(C)c3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C30H27N3O3/c1-18-14-19(12-13-32-18)22-10-11-25(24-9-7-6-8-23(22)24)27(34)29(35)33-26-16-21(30(2,3)4)15-20(17-31)28(26)36-5/h6-16H,1-5H3,(H,33,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50374798
(CHEMBL255410)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)C(N=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H37N5O4/c1-22-9-11-23(12-10-22)37-29(21-28(34-37)32(2,3)4)33-31(38)30(35-39)26-13-14-27(25-8-6-5-7-24(25)26)41-20-17-36-15-18-40-19-16-36/h5-14,21,30H,15-20H2,1-4H3,(H,33,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38-alpha kinase |
Bioorg Med Chem Lett 18: 1772-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.033 BindingDB Entry DOI: 10.7270/Q2542PFD |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323660
(CHEMBL1208891 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C29H30N4O5S/c1-29(2,3)18-16-24(27(38-4)25(17-18)33-39(5,36)37)32-28(35)26(34)22-10-11-23(21-9-7-6-8-20(21)22)31-19-12-14-30-15-13-19/h6-17,33H,1-5H3,(H,30,31)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323650
(CHEMBL1209838 | N-(3-cyano-5-morpholinophenyl)-2-(...)Show SMILES O=C(Nc1cc(cc(c1)N1CCOCC1)C#N)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C29H30N4O5/c30-20-21-17-22(19-23(18-21)33-10-14-37-15-11-33)31-29(35)28(34)26-5-6-27(25-4-2-1-3-24(25)26)38-16-9-32-7-12-36-13-8-32/h1-6,17-19H,7-16H2,(H,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM15244
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38-alpha kinase |
Bioorg Med Chem Lett 18: 1772-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.033 BindingDB Entry DOI: 10.7270/Q2542PFD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50551227
(CHEMBL4782478)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323649
(CHEMBL1209837 | N-(3-tert-butyl-5-cyanophenyl)-2-(...)Show SMILES CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(c1)C#N Show InChI InChI=1S/C29H31N3O4/c1-29(2,3)21-16-20(19-30)17-22(18-21)31-28(34)27(33)25-8-9-26(24-7-5-4-6-23(24)25)36-15-12-32-10-13-35-14-11-32/h4-9,16-18H,10-15H2,1-3H3,(H,31,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323662
(CHEMBL1208954 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(n3)N3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)20-18-24(29(42-4)25(19-20)36-45(5,40)41)34-30(39)28(38)23-10-11-26(22-9-7-6-8-21(22)23)44-27-12-13-33-31(35-27)37-14-16-43-17-15-37/h6-13,18-19,36H,14-17H2,1-5H3,(H,34,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323654
(CHEMBL1208829 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of phospho-p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38-alpha kinase |
Bioorg Med Chem Lett 18: 1772-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.033 BindingDB Entry DOI: 10.7270/Q2542PFD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323651
(CHEMBL1209839 | N-(5-tert-butyl-3-cyano-2-methoxyp...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C30H33N3O5/c1-30(2,3)21-17-20(19-31)28(36-4)25(18-21)32-29(35)27(34)24-9-10-26(23-8-6-5-7-22(23)24)38-16-13-33-11-14-37-15-12-33/h5-10,17-18H,11-16H2,1-4H3,(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38-alpha kinase |
Bioorg Med Chem Lett 18: 1772-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.033 BindingDB Entry DOI: 10.7270/Q2542PFD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50551232
(CHEMBL4790559)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCC(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HSP90a (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50551231
(CHEMBL4798549)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCC(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HSP90a (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50551234
(CHEMBL4789155)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCCCCC(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HSP90a (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323661
(CHEMBL1208952 | N-(5-tert-butyl-3-cyano-2-methoxyp...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C29H26N4O3/c1-29(2,3)19-15-18(17-30)27(36-4)25(16-19)33-28(35)26(34)23-9-10-24(22-8-6-5-7-21(22)23)32-20-11-13-31-14-12-20/h5-16H,1-4H3,(H,31,32)(H,33,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50274364
(2-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-2-(hydr...)Show SMILES Cc1cccc(c1)-n1nc(cc1C(N=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H37N5O4/c1-22-8-7-9-23(20-22)37-27(21-29(34-37)32(2,3)4)30(35-39)31(38)33-26-12-13-28(25-11-6-5-10-24(25)26)41-19-16-36-14-17-40-18-15-36/h5-13,20-21,30H,14-19H2,1-4H3,(H,33,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Kemia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha |
Bioorg Med Chem Lett 18: 5456-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.028 BindingDB Entry DOI: 10.7270/Q2154GWM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323654
(CHEMBL1208829 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50274368
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(6-(morph...)Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H33N3O4/c1-20-26(17-28(38-20)31(2,3)4)29(35)30(36)33-27-12-11-23(24-7-5-6-8-25(24)27)21-9-10-22(32-18-21)19-34-13-15-37-16-14-34/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Kemia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha |
Bioorg Med Chem Lett 18: 5456-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.028 BindingDB Entry DOI: 10.7270/Q2154GWM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323664
(CHEMBL1208956 | N-(5-tert-butyl-3-cyano-2-methoxyp...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3ccncc3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C29H25N3O3/c1-29(2,3)20-15-19(17-30)27(35-4)25(16-20)32-28(34)26(33)24-10-9-21(18-11-13-31-14-12-18)22-7-5-6-8-23(22)24/h5-16H,1-4H3,(H,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM20800
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HSP90a (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50551227
(CHEMBL4782478)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HSP90a (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50551229
(CHEMBL4740842)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCC(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323653
(CHEMBL1208828 | N-(5-tert-butyl-3-chloro-2-methoxy...)Show SMILES COc1c(Cl)cc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C29H33ClN2O5/c1-29(2,3)19-17-23(30)27(35-4)24(18-19)31-28(34)26(33)22-9-10-25(21-8-6-5-7-20(21)22)37-16-13-32-11-14-36-15-12-32/h5-10,17-18H,11-16H2,1-4H3,(H,31,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50274366
(2-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-N-(4-(2-...)Show SMILES Cn1nc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C26H32N4O4/c1-26(2,3)23-17-21(29(4)28-23)24(31)25(32)27-20-9-10-22(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kemia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha phosphorylation |
Bioorg Med Chem Lett 18: 5456-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.028 BindingDB Entry DOI: 10.7270/Q2154GWM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323655
(5-tert-butyl-N-cyclopropyl-2-methoxy-3-(2-(4-(2-mo...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C(=O)NC1CC1)C(C)(C)C Show InChI InChI=1S/C33H39N3O6/c1-33(2,3)21-19-26(31(38)34-22-9-10-22)30(40-4)27(20-21)35-32(39)29(37)25-11-12-28(24-8-6-5-7-23(24)25)42-18-15-36-13-16-41-17-14-36/h5-8,11-12,19-20,22H,9-10,13-18H2,1-4H3,(H,34,38)(H,35,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323659
(CHEMBL1208890 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C28H29N5O5S/c1-28(2,3)17-14-22(26(38-4)23(15-17)33-39(5,36)37)32-27(35)25(34)20-10-11-21(19-9-7-6-8-18(19)20)31-24-12-13-29-16-30-24/h6-16,33H,1-5H3,(H,32,35)(H,29,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323663
(CHEMBL1208955 | N-(5-tert-butyl-3-cyano-2-methoxyp...)Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3cccnc3)c3ccccc23)cc(cc1C#N)C(C)(C)C Show InChI InChI=1S/C29H25N3O3/c1-29(2,3)20-14-19(16-30)27(35-4)25(15-20)32-28(34)26(33)24-12-11-21(18-8-7-13-31-17-18)22-9-5-6-10-23(22)24/h5-15,17H,1-4H3,(H,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323658
(CHEMBL1208889 | N-(5-tert-butyl-2-methoxy-3-(methy...)Show SMILES COc1c(NC(=O)Cc2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C30H39N3O6S/c1-30(2,3)22-19-25(29(37-4)26(20-22)32-40(5,35)36)31-28(34)18-21-10-11-27(24-9-7-6-8-23(21)24)39-17-14-33-12-15-38-16-13-33/h6-11,19-20,32H,12-18H2,1-5H3,(H,31,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
K£mia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of phospho-p38 alpha activity by ELISA |
Bioorg Med Chem Lett 20: 4819-24 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.102 BindingDB Entry DOI: 10.7270/Q2V40W66 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using fluorescence substrate incubated for 30 mins by fluorescence based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50274364
(2-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-2-(hydr...)Show SMILES Cc1cccc(c1)-n1nc(cc1C(N=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H37N5O4/c1-22-8-7-9-23(20-22)37-27(21-29(34-37)32(2,3)4)30(35-39)31(38)33-26-12-13-28(25-11-6-5-10-24(25)26)41-19-16-36-14-17-40-18-15-36/h5-13,20-21,30H,14-19H2,1-4H3,(H,33,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kemia, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha phosphorylation |
Bioorg Med Chem Lett 18: 5456-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.028 BindingDB Entry DOI: 10.7270/Q2154GWM |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50551235
(CHEMBL4747757)Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(\C=C\C(=O)NO)cc3C2)c(O)cc1O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HSP90a (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96 |
More data for this Ligand-Target Pair | |